aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13831 | 4.19 | 296.35 | C16H12O2N2S | O=C(Nc1ccc(Oc2ccccc2)cc1)c1cscn1 |
|
AD13832 | 0.2 | 926.18 | C40H67O10N11S2 | CC(=O)NC(C=NNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(O)OC(C=NNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)CO |
|
AD13833 | 1.81 | 264.35 | C13H16O2N2S | CNS(=O)(=O)c1cccc2c(N(C)C)cccc12 |
|
AD13834 | 6.22 | 656.3 | C39H54O6NCl | COC(=O)C1(C)CCC2(C(=O)NCc3ccccc3Cl)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD13835 | -3.93 | 1220.39 | C56H89O19N11 | CC=C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(O)C(O)CCCCCCCCCCC)C(C)O)C(C)OC(=O)C(CCC(N)=O)NC(=O)C(C(C)O)N(C)C(=O)CNC(=O)C(CCC(N)=O)NC1=O |
|
AD13836 | 2.33 | 292.29 | C15H16O6 | Cc1c(O)ccc2c(O)c(C(=O)OCC(C)C)c(=O)oc12 |
|
AD13837 | 9.08 | 678.99 | C40H70O8 | CCCCCCC(O)CCCC(OC)C1CCC(C2CCC(C(CCCCCCCCCCCCC3=CC(C)OC3=O)OC(C)=O)O2)O1 |
|
AD13838 | 3.43 | 340.34 | C20H12O2N4 | NN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O |
|
AD13839 | 0.29 | 220.21 | C9H10O2N5 | CCOC(=O)CC1=Nc2c(N)ncnc2[N]1 |
|
AD13840 | 1.23 | 348.4 | C18H24O5N2 | CN(C)n1cc(C(=O)O)c(=O)c2cc(CCCOCCCO)ccc21 |